Please use this identifier to cite or link to this item:
|Title:||Monte Carlo simulations of conformations of chain molecules in a cylindrical pore||Authors:||Chen, S.B.||Issue Date:||2005||Citation:||Chen, S.B. (2005). Monte Carlo simulations of conformations of chain molecules in a cylindrical pore. Journal of Chemical Physics 123 (7) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.2000250||Abstract:||Off-lattice Monte Carlo simulations are employed to study the behavior of chain molecules confined in a long cylindrical pore under the condition of hard-body interaction. The emphasis is placed on the chain and bead distributions as well as the location dependence of the chain conformation and anisotropy. The simulation results show that the chains very near the pore surface tend to wrap around the surface in various configurations. This behavior is qualitatively similar to that of the chains near but outside a cylindrical rod. Moreover, the bead concentration near the pore surface increases with increasing surface curvature. © 2005 American Institute of Physics.||Source Title:||Journal of Chemical Physics||URI:||http://scholarbank.nus.edu.sg/handle/10635/89498||ISSN:||00219606||DOI:||10.1063/1.2000250|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Aug 6, 2020
WEB OF SCIENCETM
checked on Jul 30, 2020
checked on Aug 2, 2020
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.